Docking studies of some retinoidal compounds to RXRα protein Bazi reti̇noi̇dal bi̇leşkleri̇in RXRα protei̇ni̇ne doki̇ng çalişmalari

Gurkan-Alp A. S., Buyukbingol E.

Ankara Universitesi Eczacilik Fakultesi Dergisi, cilt.38, sa.3, ss.155-166, 2009 (Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 38 Sayı: 3
  • Basım Tarihi: 2009
  • Dergi Adı: Ankara Universitesi Eczacilik Fakultesi Dergisi
  • Derginin Tarandığı İndeksler: Scopus
  • Sayfa Sayıları: ss.155-166
  • Anahtar Kelimeler: AutoDock tools, Docking, Retinoid, RXR-α
  • Ankara Üniversitesi Adresli: Evet

Özet

Docking studies of the previously synthesized retinoid analogues were performed using the AutoDock Tools - 1.5.4 in order to study the interactions between the retinoid compounds and RXR-alpha (RXRα) receptor protein. The RXRα receptor protein was taken from the Protein Databank in*.pdb format (3FUG). The binding energies of the interaction in different conformations were obtained and the best conformation fit was chosen for the representation of the each compound. Compound 17 appears as the most strongly linked molecule (ΔG = -10.90 kcal/mol) to the RXRα receptor protein.